4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

C54H40N2O2 — CID 134234085

IUPAC4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c3c2)c(C)c1
InChIInChI=1S/C54H40N2O2/c1-33-18-22-44(35(3)26-33)39-20-24-46-47-25-21-40(45-23-19-34(2)27-36(45)4)32-51(47)56(50(46)31-39)49-17-11-16-48-52(49)54(58)55(53(48)57)43-29-41(37-12-7-5-8-13-37)28-42(30-43)38-14-9-6-10-15-38/h5-32H,1-4H3
InChIKeyCNJSAAUSDJCOEO-UHFFFAOYSA-N
MW748.93 g/mol
LogP13.49
Rot. Bonds6

About 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione

4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (PubChem CID 134234085) has the molecular formula C54H40N2O2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
PubChem CID134234085
Molecular FormulaC54H40N2O2
Molecular Weight748.93 g/mol
Exact Mass748.31
IUPAC Name4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c3c2)c(C)c1
InChIInChI=1S/C54H40N2O2/c1-33-18-22-44(35(3)26-33)39-20-24-46-47-25-21-40(45-23-19-34(2)27-36(45)4)32-51(47)56(50(46)31-39)49-17-11-16-48-52(49)54(58)55(53(48)57)43-29-41(37-12-7-5-8-13-37)28-42(30-43)38-14-9-6-10-15-38/h5-32H,1-4H3
InChIKeyCNJSAAUSDJCOEO-UHFFFAOYSA-N
XLogP13.49
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234561
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234077
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-[1,8-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione;4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione;4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 158958228
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 157418592
4-[2-(2-methylphenyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234848
4-[2-(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(4-phenylphenyl)isoindole-1,3-dione
CID 134234921
4-[1,8-bis(4-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158655472
4-[1,8-bis(2-methylphenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[1-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione;2-(2,5-diphenylphenyl)-4-[2-(2-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 159890371

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione (CID 134234085) is 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c3c2)c(C)c1.
What is the InChIKey of 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
The InChIKey is CNJSAAUSDJCOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O2/c1-33-18-22-44(35(3)26-33)39-20-24-46-47-25-21-40(45-23-19-34(2)27-36(45)4)32-51(47)56(50(46)31-39)49-17-11-16-48-52(49)54(58)55(53(48)57)43-29-41(37-12-7-5-8-13-37)28-42(30-43)38-14-9-6-10-15-38/h5-32H,1-4H3.
What are the key properties of 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione?
4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione has a molecular weight of 748.93 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 134234085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).